N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide

C12H21NO2 — CID 91914815

IUPACN-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide
SMILESCC1(CNC(=O)C2CCC2)CCOCC1
InChIInChI=1S/C12H21NO2/c1-12(5-7-15-8-6-12)9-13-11(14)10-3-2-4-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyHTRGAIZNPQCZAJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.72
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide

N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 91914815) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide
PubChem CID91914815
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide
SMILESCC1(CNC(=O)C2CCC2)CCOCC1
InChIInChI=1S/C12H21NO2/c1-12(5-7-15-8-6-12)9-13-11(14)10-3-2-4-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyHTRGAIZNPQCZAJ-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)-1-cyclobutanecarboxamide
CID 110752448
N-(3-ethoxypropyl)oxane-4-carboxamide
CID 51073129
(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 99739825
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
(3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide
CID 126454699
3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide
CID 164634508
3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 120890443
2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 130165116
3,3-difluoro-N-[(oxan-4-yl)methyl]cyclobutane-1-carboxamide
CID 146079569
N-[[4-(fluoromethyl)oxan-4-yl]methyl]butanamide
CID 166245556
2-(1-acetyl-4-piperidyl)-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]acetamide
CID 91914833
N-[[4-(aminomethyl)oxan-4-yl]methyl]acetamide
CID 18614316

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide (CID 91914815) is N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide is CC1(CNC(=O)C2CCC2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is HTRGAIZNPQCZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(5-7-15-8-6-12)9-13-11(14)10-3-2-4-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide?
N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 91914815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).